[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CN(C)C2=NC=CC=N2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CN(C)C2=NC=CC=N2

InChI

InChI=1S/C16H17N5O5/c1-11(15(23)19-12-5-3-6-13(9-12)21(24)25)26-14(22)10-20(2)16-17-7-4-8-18-16/h3-9,11H,10H2,1-2H3,(H,19,23)